2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C14H24N4O — CID 164637327

IUPAC2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(C3CCCC3)[C@@H](C)C2)o1
InChIInChI=1S/C14H24N4O/c1-11-9-17(10-14-16-15-12(2)19-14)7-8-18(11)13-5-3-4-6-13/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeySFUWEELMKKUFJK-NSHDSACASA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds3

About 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 164637327) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID164637327
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(C3CCCC3)[C@@H](C)C2)o1
InChIInChI=1S/C14H24N4O/c1-11-9-17(10-14-16-15-12(2)19-14)7-8-18(11)13-5-3-4-6-13/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeySFUWEELMKKUFJK-NSHDSACASA-N
XLogP1.83
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 164637327) is 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CN2CCN(C3CCCC3)[C@@H](C)C2)o1.
What is the InChIKey of 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SFUWEELMKKUFJK-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-9-17(10-14-16-15-12(2)19-14)7-8-18(11)13-5-3-4-6-13/h11,13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 164637327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).